Diethyl benzyliminodiacetate
TL;DR: Diethyl benzyliminodiacetate (CAS 17136-37-7) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
Also Known As: Diethyl benzyliminodiacetate, Diethyl 2,2'-(benzylazanediyl)diacetate, diethyl N-benzyliminodiacetate, ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate, Diethyl benzyliminodiacetate, 97%
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 1.6148 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 399.1415 |
Chemical Identifiers
| CAS Number | 17136-37-7 |
|---|---|
| SMILES | CCOC(=O)CN(CC1=CC=CC=C1)CC(=O)OCC |
Product Overview
Diethyl benzyliminodiacetate (CAS 17136-37-7), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate.
Chemical Property Profile of Diethyl benzyliminodiacetate
Property Insights of Diethyl benzyliminodiacetate
The XLogP value of 1.6148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl benzyliminodiacetate. With a topological polar surface area (TPSA) of 55.84 Ų, Diethyl benzyliminodiacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl benzyliminodiacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl benzyliminodiacetate?
The CAS number of Diethyl benzyliminodiacetate is 17136-37-7.
What is the molecular formula of Diethyl benzyliminodiacetate?
The molecular formula of Diethyl benzyliminodiacetate is C15H21NO4.
What is the molecular weight of Diethyl benzyliminodiacetate?
The molecular weight of Diethyl benzyliminodiacetate is 279.15 g/mol.
Where can I buy Diethyl benzyliminodiacetate?
You can request a quote for Diethyl benzyliminodiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl benzyliminodiacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl benzyliminodiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.